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Dispersion Interactions in Exciton-Localized States. Theory and Applications to π-π* and n-π* Excited States.
J Chem Theory Comput. 2022 Jun 14;18(6):3497-3511. doi: 10.1021/acs.jctc.2c00221. Epub 2022 May 19.
J Chem Theory Comput. 2022.
PMID: 35587598
Free PMC article.
Stable isomers and electronic, vibrational, and optical properties of WS2 nano-clusters: A first-principles study.
Hafizi R, Hashemifar SJ, Alaei M, Jangrouei M, Akbarzadeh H.
Hafizi R, et al.
J Chem Phys. 2016 Dec 7;145(21):214303. doi: 10.1063/1.4968038.
J Chem Phys. 2016.
PMID: 28799344
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